1-[(2,3-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Traditional Name: 1-o-veratryl-4-(4-phenylcyclohexyl)piperazine-1,4-diium Formula: C25H36N2O2+2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N2O2/c1-28-24-10-6-9-22(25(24)29-2)19-26-15-17-27(18-16-26)23-13-11-21(12-14-23)20-7-4-3-5-8-20/h3-10,21,23H,11-19H2,1-2H3/p+2